1,2-Dichloroethane → HCID 68313114, compound

HRID 189858Notes

Reaction equation

HRID 189858 reaction equation
[CH2:28]([CH3:29])[N:30]=[C:31]=[S:32].[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:47][CH2:48][Cl:49].[ClH:37].[O:1]=[c:2]1[n:3]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:4]2[n:5][c:6](-[c:11]3[cH:12][n:13][n:14]4[c:15]3[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]4)[n:7][cH:8][c:9]2[nH:10]1>>[c:2]1([NH:30][CH2:28][CH3:29])[n:3]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:4]2[n:5][c:6](-[c:11]3[cH:12][n:13][n:14]4[c:15]3[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]4)[n:7][cH:8][c:9]2[n:10]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 10966Ethyl isothiocyanateHCID 81531DiisopropylethylamineHCID 52933409HCID 52933409, compound

Product 1

HCID 68313114HCID 68313114, compound

Sources & evidence

ORD record
ord-18ce6516b3ed47379410974d90d693d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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