Ammonia → 5-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine

HRID 1229605Notes

Reaction equation

HRID 1229605 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]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][c:31]([S:34][CH3:35])[n:32]1[CH3:33])[c:36]1[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]1.[NH3:1].[OH2:43]>>[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][c:31]([S:34][CH3:35])[n:32]1[CH3:33])[c:36]1[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 962WaterHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 210820857-[chloro(4-chlorophenyl)[4-methyl-5-(methylthio)-4H-1,2,4triazol-3-yl)methyl]-5-(3-chlorophenyl)-tetrazolo[1,5-a)quinazoline

Product 1

HCID 210820625-(3-chlorophenyl)-alpha-(4-chlorophenyl)-alpha-[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)-tetrazolo[1,5-a]quinazoline-7-methanamine

Sources & evidence

ORD record
ord-758e84cf98934a71a766e7553689c270
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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