Ammonia → HCID 21082068, compound

HRID 138951Notes

Reaction equation

HRID 138951 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:2]([OH:3])([CH3:4])[CH3:5].[Cl:6][C:7]([c:8]1[cH:9][c:10]2[c:11](-[c:21]3[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]3)[n:12][c:13]3[n:14]([c:15]2[cH:16][cH:17]1)[n:18][n:19][n:20]3)([c:28]1[n:29][n:30][cH:31][n:32]1[CH3:33])[c:34]1[cH:35][cH:36][c:37]([I:40])[cH:38][cH:39]1.[NH3:1].[OH2:41]>>[NH2:1][C:7]([c:8]1[cH:9][c:10]2[c:11](-[c:21]3[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]3)[n:12][c:13]3[n:14]([c:15]2[cH:16][cH:17]1)[n:18][n:19][n:20]3)([c:28]1[n:29][n:30][cH:31][n:32]1[CH3:33])[c:34]1[cH:35][cH:36][c:37]([I:40])[cH:38][cH:39]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 962WaterHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 21082086HCID 21082086, compound

Product 1

HCID 21082068HCID 21082068, compound

Sources & evidence

ORD record
ord-4a7f51ec8aa34ccf9c4c398f97b658cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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