Hydrochloric Acid → HCID 178512722, compound

HRID 1232367Notes

Reaction equation

HRID 1232367 reaction equation
[CH2:89]([Cl:90])[Cl:91].[CH3:92][CH2:93][N:94]([CH2:95][CH3:96])[CH2:97][CH3:98].[CH:74]1([N:75]=[C:76]=[N:77][CH:78]2[CH2:79][CH2:80][CH2:81][CH2:82][CH2:83]2)[CH2:84][CH2:85][CH2:86][CH2:87][CH2:88]1.[ClH:1].[ClH:2].[NH:3]([C:4](=[NH:5])[NH2:6])[c:7]1[s:8][cH:9][c:10]([CH2:12][S:13][CH2:14][CH2:15][NH2:16])[n:11]1.[OH:64][c:65]1[cH:66][cH:67][c:68]([N+:69](=[O:70])[O-:71])[cH:72][cH:73]1.[c:17]1([S:23](=[O:24])(=[O:25])[NH:26][c:27]2[cH:28][c:29]([C:30](=[O:31])[O:32][c:33]3[cH:34][cH:35][c:36]([N+:37]([O-:38])=[O:39])[cH:40][cH:41]3)[cH:42][cH:43][cH:44]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:45]1([S:46]([NH:47][c:48]2[cH:49][c:50]([C:54]([OH:55])=[O:56])[cH:51][cH:52][cH:53]2)(=[O:57])=[O:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[NH:3]([C:4](=[NH:5])[NH2:6])[c:7]1[s:8][cH:9][c:10]([CH2:12][S:13][CH2:14][CH2:15][NH:16][C:30]([c:29]2[cH:28][c:27]([NH:26][S:23]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)(=[O:24])=[O:25])[cH:44][cH:43][cH:42]2)=[O:31])[n:11]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 9804-NitrophenolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 7922013-Benzenesulfonamidobenzoic acidHCID 541944984-Nitrophenyl 3-[(benzenesulfonyl)amino]benzoateHCID 1785127232-[4-(2-Aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

Product 1

HCID 178512722HCID 178512722, compound

Sources & evidence

ORD record
ord-f4245e11a26143c495efc2b8a5609579
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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